methyl 2-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-amino]ethanoate Openeye Name: methyl 2-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-amino]acetate CAS Name: 2-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methylamino]acetate Traditional Name: 2-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-amino]acetic acid methyl ester Formula: C18H33N3O4S MolecularWeight: 387.53732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN(C)CC(=O)OC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN(C)CC(=O)OC

InChI

InChI=1S/C18H33N3O4S/c1-6-7-10-21-16(13-20(4)14-17(22)25-5)12-19-18(21)26(23,24)11-8-9-15(2)3/h12,15H,6-11,13-14H2,1-5H3